108 Lattice="11.317327605324223 0.0 0.0 0.0 11.317327605324223 0.0 0.0 0.0 11.317327605324223" Properties=species:S:1:pos:R:3:forces:R:3 energy=-351.87122498423724 stress="-0.007904402234116597 -0.0004900352793749135 0.00011804406176484915 -0.0004900352793749135 -0.00787313021544265 0.0002939482339329974 0.00011804406176484915 0.0002939482339329974 -0.007877496860589117" free_energy=-351.87122498423724 pbc="F F F" Pd 0.02829057 0.02194729 0.00413380 0.81418552 0.80508338 0.83972062 Pd 1.88693906 1.91350350 0.03144058 -0.29934473 -0.48506451 -0.45618960 Pd 1.89202945 0.01384608 1.92191404 -0.23907840 -0.37201780 -0.46266055 Pd 0.02402769 1.90138033 1.91710160 -0.48405666 -0.29359227 -0.43029518 Pd 3.74571965 0.02392231 0.02520237 0.02507024 0.47111648 0.51084180 Pd 5.62563084 1.91825488 0.01662687 0.15585398 -0.61836046 -0.48646293 Pd 5.68524148 0.00892391 1.90518245 -0.08221988 -0.22416629 -0.31593946 Pd 3.73901003 1.91621849 1.89781664 0.24917659 -0.75478839 -0.30004594 Pd 7.51276826 0.02350252 0.03637489 0.14905994 0.56811883 0.53545423 Pd 9.40602979 1.87228379 0.00108159 -0.43307435 -0.20023653 0.54764925 Pd 9.41619558 0.00666762 1.92387833 -0.60503576 0.56093576 -0.23809293 Pd 7.56870167 1.91420002 1.85654430 0.05855229 -0.74902710 -0.09023608 Pd 0.02014917 3.77360286 0.02890160 0.31195003 0.00380638 0.27978225 Pd 1.90090056 5.69146349 0.00929258 -0.28241000 -0.29240556 -0.48470402 Pd 1.87546627 3.75814871 1.87210326 -0.21492198 0.33335471 -0.20457954 Pd 0.02424754 5.65274670 1.87368327 -0.39322097 0.15513317 -0.11011340 Pd 3.78973927 3.75323165 0.02153570 -0.27159470 0.23560909 -0.69614554 Pd 5.63473657 5.66051305 0.00380479 0.26586557 -0.02891029 -0.54949485 Pd 5.65389199 3.74801062 1.85184803 0.30917402 0.12289014 -0.03246125 Pd 3.80245467 5.68397657 1.90028493 -0.35605091 -0.31300383 -0.68523109 Pd 7.57789814 3.73495648 0.01974372 0.09114304 0.32727367 -0.57359501 Pd 9.40904070 5.69312299 0.00288940 -0.37174499 -0.06918740 0.39884064 Pd 9.42779608 3.77498639 1.85990550 0.53905004 0.15684611 -0.24218177 Pd 7.54808069 5.68304630 1.89769821 0.21960667 -0.23423529 -0.44313022 Pd 0.00135171 7.52293821 0.01520135 0.52482357 0.13572922 0.54497219 Pd 1.88075821 9.40658926 0.03075572 -0.09990459 -0.36958054 0.34967969 Pd 1.92270776 7.54420855 1.82993896 -0.74025346 0.44862679 0.26068249 Pd 0.03084458 9.42302945 1.85468529 0.56042997 -0.62794411 0.00191312 Pd 3.74018310 7.53158228 0.01105061 0.29373642 0.43879265 -0.64836471 Pd 5.65336387 9.42358964 0.00202230 0.04877893 -0.49649844 0.43346523 Pd 5.64353225 7.54169104 1.86626126 0.14097351 0.59711566 -0.26051099 Pd 3.78866899 9.45146767 1.87286237 -0.07165373 0.25817332 -0.14567970 Pd 7.55991976 7.53597264 0.03546196 0.13370508 0.40556830 -0.39116001 Pd 9.40540965 9.44491366 0.00662949 -0.82221947 -0.85157076 0.84791485 Pd 9.41281684 7.51805948 1.89967462 0.31566455 0.61900936 -0.27881869 Pd 7.50953352 9.43702966 1.88529676 0.40915333 0.13832655 -0.19848641 Pd 0.00424109 0.03304321 3.74710968 0.28920222 0.22463503 0.08440145 Pd 1.86659233 1.86944435 3.76534959 -0.07942874 -0.07286841 0.22029062 Pd 1.91917549 0.00226608 5.63489257 -0.32236445 -0.35755656 0.15204298 Pd 0.02766507 1.87609721 5.66286471 -0.50968095 -0.30930626 0.03149358 Pd 3.78994253 0.02442404 3.78477047 -0.13065781 -0.70828139 -0.18399225 Pd 5.64267505 1.85060731 3.80492845 0.41784316 0.08467735 -0.48647877 Pd 5.67018201 0.00966639 5.62743097 0.11140966 -0.64051689 0.29622526 Pd 3.79922206 1.91094372 5.64191140 -0.33380562 -0.21830575 0.14616373 Pd 7.57506359 0.00380546 3.79411337 0.27754783 -0.38446688 -0.14447590 Pd 9.40166533 1.90927857 3.71643896 0.66074390 -0.47565356 0.19138985 Pd 9.46469910 0.01560959 5.71907420 -0.59995880 0.57100006 -0.04175150 Pd 7.56516016 1.88069037 5.62627950 0.35910431 -0.36237556 0.50969302 Pd 0.03058850 3.79485240 3.79606046 -0.79666828 -0.12373082 -0.25896754 Pd 1.91323573 5.64039622 3.76700266 -0.58096954 0.26994016 -0.12332916 Pd 1.82504900 3.80036948 5.64610624 0.23787114 -0.25965131 0.12032844 Pd 0.00896472 5.66349311 5.63519009 -0.59658644 0.25598598 0.26307812 Pd 3.80917891 3.79539306 3.75592653 -0.36012906 -0.27994976 0.24041714 Pd 5.62879619 5.65294901 3.73980929 0.57445486 0.10254159 0.17490708 Pd 5.69592477 3.80722474 5.67669886 -0.20139456 -0.44312457 -0.16150360 Pd 3.80272874 5.67901041 5.68665115 -0.37570584 -0.27108900 -0.16402375 Pd 7.57130325 3.77031776 3.76022486 0.04002022 0.09479219 -0.13934376 Pd 9.44536247 5.68946998 3.74101549 0.45007047 -0.15741318 0.12380301 Pd 9.43635861 3.75002922 5.62354565 0.51978333 0.06885670 0.20443956 Pd 7.54780896 5.63045707 5.66096692 0.56120261 0.41900977 -0.18132005 Pd 0.00268325 7.57144230 3.75950832 -0.23115127 0.15545746 -0.16615657 Pd 1.89745355 9.40657888 3.77933233 -0.34444410 0.48837334 -0.27774157 Pd 1.85994481 7.57146368 5.63280667 -0.31477954 0.26806929 0.38490306 Pd 0.02587615 9.44267317 5.69917405 0.42901164 -0.42111731 -0.00388009 Pd 3.74023363 7.50926245 3.79428602 0.13954991 0.82862993 -0.22708380 Pd 5.63238890 9.40611617 3.76145346 0.04983093 0.47548983 0.05424768 Pd 5.62724009 7.50954661 5.66791317 0.50587518 0.76878910 -0.08416817 Pd 3.75852057 9.46355969 5.63118421 0.06592775 0.39872687 0.16582891 Pd 7.53955821 7.56757314 3.79853020 0.24563053 0.22153025 -0.19764941 Pd 9.42853500 9.40673330 3.80204505 -0.47555502 -0.44164470 -0.12526479 Pd 9.41414383 7.51899278 5.64760174 0.41397909 0.28022361 0.21092755 Pd 7.54500898 9.41221079 5.66079937 0.17532818 0.34740092 0.11817365 Pd 0.03563333 0.00862131 7.50858499 0.61971926 0.61288210 0.18051523 Pd 1.90132630 1.89934750 7.53731070 -0.38820235 -0.57642290 0.30830440 Pd 1.89291337 0.03571824 9.40407733 -0.06494746 0.57624219 -0.61933042 Pd 0.02077037 1.86594962 9.43281348 0.61139191 -0.10668568 -0.65839199 Pd 3.80449022 0.03564383 7.51496518 -0.20354376 -0.49513266 0.39276279 Pd 5.63440785 1.87012413 7.58191462 0.22643552 -0.11985172 -0.13154304 Pd 5.68701756 0.01911246 9.42880439 -0.12598715 0.32024203 -0.25483727 Pd 3.76812283 1.92140354 9.44002675 -0.14429085 -0.45927986 0.38203938 Pd 7.51323833 0.03417900 7.58071961 0.49255955 -0.25855854 -0.01539318 Pd 9.46125041 1.88724829 7.55364203 -0.07954173 -0.12430674 0.25367880 Pd 9.40567262 0.02295597 9.42697796 -0.78957004 0.80035216 -0.80199394 Pd 7.50835180 1.90758602 9.41874873 0.56560207 -0.13795006 0.26121198 Pd 0.00284863 3.73515751 7.55584511 -0.38666997 0.20375467 0.26731088 Pd 1.92227070 5.67838574 7.51865890 -0.89957986 0.14726831 0.47725476 Pd 1.87675252 3.76741076 9.39456328 -0.28137683 0.08803708 0.50874022 Pd 0.01908491 5.65803997 9.43441716 0.54828935 0.04822005 -0.60486914 Pd 3.74504356 3.78926815 7.52052024 0.13261851 -0.16555890 0.39671904 Pd 5.67938424 5.65377533 7.56109339 -0.10512956 0.23877121 0.64152062 Pd 5.62669450 3.74663241 9.39645845 0.12464289 0.28305254 0.66499107 Pd 3.75123896 5.69647812 9.39528020 0.14532479 -0.05988089 0.58787459 Pd 7.52721387 3.80965693 7.52601725 0.77412497 -0.55191584 0.65000640 Pd 9.43709225 5.63762292 7.56595637 0.33960426 0.11799165 0.15771036 Pd 9.42805858 3.78397800 9.41878729 -0.52017771 -0.11025983 -0.47582117 Pd 7.56562484 5.67914235 9.44615875 0.21890153 -0.08217566 0.36780625 Pd 0.01244739 7.58038537 7.56397237 -0.10907934 0.07859843 0.20862512 Pd 1.91367738 9.45517585 7.56650205 -0.22775609 0.09033383 0.22281071 Pd 1.90642025 7.53493235 9.42372168 -0.30790308 0.40364524 0.15193678 Pd 0.02153688 9.43184446 9.41550809 0.79701239 -0.77065836 -0.76643382 Pd 3.80470480 7.58030784 7.51162194 -0.29211401 0.49080479 0.70862163 Pd 5.67593040 9.42506289 7.56050613 -0.00071183 0.41076781 0.15280777 Pd 5.68520217 7.57463426 9.44844867 -0.09723850 0.15875973 0.32065688 Pd 3.79569553 9.43175378 9.45560575 -0.04312173 -0.52861800 -0.53163300 Pd 7.54527804 7.53332529 7.57101484 0.51838289 0.49467684 0.25090184 Pd 9.42957599 9.40175975 7.52806647 -0.68448206 -0.63920209 0.15400053 Pd 9.45527423 7.55098025 9.42285807 -0.73322022 0.13119929 -0.67260727 Pd 7.51668753 9.45415861 9.43855472 0.24975865 -0.70713974 -0.68791432